[4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]phenyl]arsonic acid

C10H11AsN6O4 — CID 135403639

IUPAC[4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]phenyl]arsonic acid
SMILESNc1nc(N)c(/N=N/c2ccc([As](=O)(O)O)cc2)c(=O)[nH]1
InChIInChI=1S/C10H11AsN6O4/c12-8-7(9(18)15-10(13)14-8)17-16-6-3-1-5(2-4-6)11(19,20)21/h1-4H,(H2,19,20,21)(H5,12,13,14,15,18)/b17-16+
InChIKeyAXMUEPLMQDFCMR-WUKNDPDISA-N
MW354.16 g/mol
LogP-1.09
Rot. Bonds3

About [4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]phenyl]arsonic acid

[4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]phenyl]arsonic acid (PubChem CID 135403639) has the molecular formula C10H11AsN6O4 and a molecular weight of 354.16 g/mol. Its IUPAC name is [4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]phenyl]arsonic acid.

Molecular Properties

Compound Name[4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]phenyl]arsonic acid
PubChem CID135403639
Molecular FormulaC10H11AsN6O4
Molecular Weight354.16 g/mol
Exact Mass354.01
IUPAC Name[4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]phenyl]arsonic acid
SMILESNc1nc(N)c(/N=N/c2ccc([As](=O)(O)O)cc2)c(=O)[nH]1
InChIInChI=1S/C10H11AsN6O4/c12-8-7(9(18)15-10(13)14-8)17-16-6-3-1-5(2-4-6)11(19,20)21/h1-4H,(H2,19,20,21)(H5,12,13,14,15,18)/b17-16+
InChIKeyAXMUEPLMQDFCMR-WUKNDPDISA-N
XLogP-1.09
TPSA180.04 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.16
LogP ≤ 5-1.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]phenyl]arsonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]phenyl]arsonic acid?
The IUPAC name of [4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]phenyl]arsonic acid (CID 135403639) is [4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]phenyl]arsonic acid.
What is the SMILES notation for [4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]phenyl]arsonic acid?
The canonical SMILES for [4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]phenyl]arsonic acid is Nc1nc(N)c(/N=N/c2ccc([As](=O)(O)O)cc2)c(=O)[nH]1.
What is the InChIKey of [4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]phenyl]arsonic acid?
The InChIKey is AXMUEPLMQDFCMR-WUKNDPDISA-N. The full InChI is InChI=1S/C10H11AsN6O4/c12-8-7(9(18)15-10(13)14-8)17-16-6-3-1-5(2-4-6)11(19,20)21/h1-4H,(H2,19,20,21)(H5,12,13,14,15,18)/b17-16+.
What are the key properties of [4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]phenyl]arsonic acid?
[4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]phenyl]arsonic acid has a molecular weight of 354.16 g/mol, XLogP of -1.09, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)diazenyl]phenyl]arsonic acid is sourced from PubChem (CID 135403639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).